SCHEMBL30909396

SCHEMBL30909396

CCC(=O)NNC(=O)NN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSD P07339 1/20 0.42
ALDH1A1 P00352 7/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 2/20 0.39
GAA P10253 3/20 0.35
CYP2C9 P11712 1/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
KDM5C P41229 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
TDP1 Q9NUW8 2/20 0.30
FFAR3 O14843 1/20 0.30
CYP1A2 P05177 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27764407 0.81 CTSD (0.62) MEN1KMT2ACTSDALDH1A1SMN1; SMN2
SCHEMBL1169137 0.81 ALDH1A1 (0.50) MEN1KMT2ACTSDALDH1A1SMN1; SMN2
SCHEMBL15131323 0.78 CYP1A2 (0.47) CTSDKDM4ELMNAKDM5CPHF8
SCHEMBL8891640 0.77 ALDH1A1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL11244426 0.76
SCHEMBL28350095 0.76
SCHEMBL404570 0.75
SCHEMBL10578591 0.75 ALDH1A1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL6639994 0.75 ALDH1A1 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL12320893 0.74 HSP90AA1 (0.53) MEN1KMT2AALDH1A1MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108943-A Polyhydrazide polyalcohol and synthetic method and application thereof 青岛科凯达橡塑有限公司 2024-05-31 CN disclosed